1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid

C12H22N2O4S — CID 63030973

IUPAC1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O4S/c1-13(11-5-3-2-4-6-11)19(17,18)14-8-7-10(9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyAORLMRBLQQVGQG-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.90
Rot. Bonds4

About 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid

1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030973) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63030973
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O4S/c1-13(11-5-3-2-4-6-11)19(17,18)14-8-7-10(9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyAORLMRBLQQVGQG-UHFFFAOYSA-N
XLogP0.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid (CID 63030973) is 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid is CN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AORLMRBLQQVGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-13(11-5-3-2-4-6-11)19(17,18)14-8-7-10(9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid?
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).